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Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor

X-ray diffraction
2.008Å resolution
PDB entry 3wnr coloured by chain, front view.
PDB entry 3wnr coloured by chain, side view.
PDB entry 3wnr coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
homo trimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Macrophage migration inhibitory factor
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Multimeric state: homo trimer
Accessible surface area: 13422.09 Å2
Buried surface area: 8455.25 Å2
Dissociation area: 3,371.23 Å2
Dissociation energy (ΔGdiss): 28.14 kcal/mol
Dissociation entropy (TΔSdiss): 24.05 kcal/mol
Symmetry number: 3
PDBe Complex ID: PDB-CPX-146863

Macromolecules

Macrophage migration inhibitory factor
Chains: A, B, C
Length: 114 amino acids
Theoretical weight: 12.36 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P14174 (Residues: 2-115; Coverage: 99%)
Gene names: GLIF, MIF, MMIF
Pfam: Macrophage migration inhibitory factor (MIF)
InterPro:
CATH: Macrophage Migration Inhibitory Factor
Macrophage migration inhibitory factor in PDB entry 3wnr, assembly 1, front view.
Macrophage migration inhibitory factor in PDB entry 3wnr, assembly 1, side view.
Macrophage migration inhibitory factor in PDB entry 3wnr, assembly 1, top view.
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